⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL820314 | 0.97 | — | — | |
| SCHEMBL98593 | 0.97 | — | — | |
| SCHEMBL29088542 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL29088565 | 0.80 | MMP8 (0.38) | — | |
| SCHEMBL6247104 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL223479 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL238384 | 0.78 | — | — | |
| Fluoride SCHEMBL28042444 | 0.78 | — | — | |
| SCHEMBL22591380 | 0.77 | — | — | |
| SCHEMBL10719827 | 0.77 | ALDH1A1 (0.43) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022252055-A1 | ELECTROCHEMICAL DEVICE AND ELECTRONIC DEVICE | 宁德新能源科技有限公司 | 2022-12-08 | — | — | WO | disclosed |